# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ni # implementation = 2025--Sharifi-H--Co-Ni--LAMMPS--ipr1 # composition = CoNi2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 4.901279380e+02 0.92 4.426511434e+02 0.94 3.996913074e+02 0.96 3.608128018e+02 0.98 3.256258699e+02 1.00 2.937808509e+02 1.02 2.649632457e+02 1.04 2.388894998e+02 1.06 2.153034024e+02 1.08 1.939730183e+02 1.10 1.746880538e+02 1.12 1.572575955e+02 1.14 1.415081586e+02 1.16 1.272819865e+02 1.18 1.144355668e+02 1.20 1.028383246e+02 1.22 9.237146045e+01 1.24 8.292691640e+01 1.26 7.440644517e+01 1.28 6.672076811e+01 1.30 5.978881227e+01 1.32 5.353701222e+01 1.34 4.789867132e+01 1.36 4.281337598e+01 1.38 3.822645509e+01 1.40 3.408848288e+01 1.42 3.035482036e+01 1.44 2.698519142e+01 1.46 2.394329280e+01 1.48 2.119643388e+01 1.50 1.871520481e+01 1.52 1.647317162e+01 1.54 1.444659548e+01 1.56 1.261417522e+01 1.58 1.095681170e+01 1.60 9.457391837e+00 1.62 8.100591626e+00 1.64 6.872696573e+00 1.66 5.761437989e+00 1.68 4.755844556e+00 1.70 3.846107521e+00 1.72 3.023458547e+00 1.74 2.280058998e+00 1.76 1.608869908e+00 1.78 1.003484922e+00 1.80 4.580475177e-01 1.82 -3.279586817e-02 1.84 -4.739382016e-01 1.86 -8.698508527e-01 1.88 -1.224619351e+00 1.90 -1.541976015e+00 1.92 -1.825329854e+00 1.94 -2.077793956e+00 1.96 -2.302210510e+00 1.98 -2.501173760e+00 2.00 -2.677051022e+00 2.02 -2.832001900e+00 2.04 -2.967995936e+00 2.06 -3.086828745e+00 2.08 -3.190136802e+00 2.10 -3.279411010e+00 2.12 -3.356009108e+00 2.14 -3.421167051e+00 2.16 -3.476009439e+00 2.18 -3.521558119e+00 2.20 -3.558739975e+00 2.22 -3.588397220e+00 2.24 -3.611294995e+00 2.26 -3.628128021e+00 2.28 -3.639526685e+00 2.30 -3.646062279e+00 2.32 -3.648240000e+00 2.34 -3.646502743e+00 2.36 -3.641252380e+00 2.38 -3.632854324e+00 2.40 -3.621640633e+00 2.42 -3.607912851e+00 2.44 -3.591944613e+00 2.46 -3.573984030e+00 2.48 -3.554255882e+00 2.50 -3.532963616e+00 2.52 -3.510291183e+00 2.54 -3.486404719e+00 2.56 -3.461454082e+00 2.58 -3.435574259e+00 2.60 -3.408886653e+00 2.62 -3.381500267e+00 2.64 -3.353512773e+00 2.66 -3.325011508e+00 2.68 -3.296074367e+00 2.70 -3.266770634e+00 2.72 -3.237161736e+00 2.74 -3.207301935e+00 2.76 -3.177238960e+00 2.78 -3.147014592e+00 2.80 -3.116665194e+00 2.82 -3.086222205e+00 2.84 -3.055712591e+00 2.86 -3.025159265e+00 2.88 -2.994581475e+00 2.90 -2.963995162e+00 2.92 -2.933413299e+00 2.94 -2.902846202e+00 2.96 -2.872301832e+00 2.98 -2.841786070e+00 3.00 -2.811302981e+00 3.02 -2.780855070e+00 3.04 -2.750443518e+00 3.06 -2.720068410e+00 3.08 -2.689728958e+00 3.10 -2.659423705e+00 3.12 -2.629150724e+00 3.14 -2.598907808e+00 3.16 -2.568692646e+00 3.18 -2.538502990e+00 3.20 -2.508336809e+00 3.22 -2.478192428e+00 3.24 -2.448068661e+00 3.26 -2.417964915e+00 3.28 -2.387881295e+00 3.30 -2.357818679e+00 3.32 -2.327778781e+00 3.34 -2.297764199e+00 3.36 -2.267778438e+00 3.38 -2.237825924e+00 3.40 -2.207911992e+00 3.42 -2.178042863e+00 3.44 -2.148225600e+00 3.46 -2.118468057e+00 3.48 -2.088778806e+00 3.50 -2.059167062e+00 3.52 -2.029642589e+00 3.54 -2.000215611e+00 3.56 -1.970896707e+00 3.58 -1.941696712e+00 3.60 -1.912626616e+00 3.62 -1.883697460e+00 3.64 -1.854920248e+00 3.66 -1.826305847e+00 3.68 -1.797864916e+00 3.70 -1.769607821e+00 3.72 -1.741544579e+00 3.74 -1.713684796e+00 3.76 -1.686037625e+00 3.78 -1.658611730e+00 3.80 -1.631415261e+00 3.82 -1.604455834e+00 3.84 -1.577740528e+00 3.86 -1.551275878e+00 3.88 -1.525067888e+00 3.90 -1.499122036e+00 3.92 -1.473443296e+00 3.94 -1.448036155e+00 3.96 -1.422904638e+00 3.98 -1.398052329e+00 4.00 -1.373482402e+00 4.02 -1.349197643e+00 4.04 -1.325200476e+00 4.06 -1.301492989e+00 4.08 -1.278076957e+00 4.10 -1.254953860e+00 4.12 -1.232124909e+00 4.14 -1.209591056e+00 4.16 -1.187353018e+00 4.18 -1.165411281e+00 4.20 -1.143766121e+00 4.22 -1.122417607e+00 4.24 -1.101365613e+00 4.26 -1.080581835e+00 4.28 -1.059505652e+00 4.30 -1.036653833e+00 4.32 -1.011757289e+00 4.34 -9.909345603e-01 4.36 -9.719239726e-01 4.38 -9.531975218e-01 4.40 -9.347538028e-01 4.42 -9.165912689e-01 4.44 -8.987082376e-01 4.46 -8.811028977e-01 4.48 -8.637733168e-01 4.50 -8.467174499e-01 4.52 -8.299331484e-01 4.54 -8.134181692e-01 4.56 -7.971701847e-01 4.58 -7.811867922e-01 4.60 -7.654655239e-01 4.62 -7.500038556e-01 4.64 -7.347992160e-01 4.66 -7.198489946e-01 4.68 -7.051505492e-01 4.70 -6.907012123e-01 4.72 -6.764982969e-01 4.74 -6.625391014e-01 4.76 -6.488209132e-01 4.78 -6.353410120e-01 4.80 -6.220966722e-01 4.82 -6.090851643e-01 4.84 -5.963037562e-01 4.86 -5.837497140e-01 4.88 -5.714203022e-01 4.90 -5.593127838e-01 4.92 -5.459316246e-01 4.94 -5.125339305e-01 4.96 -4.132260677e-01 4.98 -2.060310525e-01 5.00 -6.880497941e-23 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00